N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide

C18H15F2N3O2 — CID 111451547

IUPACN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H15F2N3O2/c19-14-5-2-6-15(20)17(14)16(24)10-22-18(25)12-3-1-4-13(9-12)23-8-7-21-11-23/h1-9,11,16,24H,10H2,(H,22,25)
InChIKeyCYPZTUSIOCGLCK-UHFFFAOYSA-N
MW343.33 g/mol
LogP2.61
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide

N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide (PubChem CID 111451547) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
PubChem CID111451547
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC NameN-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
SMILESO=C(NCC(O)c1c(F)cccc1F)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H15F2N3O2/c19-14-5-2-6-15(20)17(14)16(24)10-22-18(25)12-3-1-4-13(9-12)23-8-7-21-11-23/h1-9,11,16,24H,10H2,(H,22,25)
InChIKeyCYPZTUSIOCGLCK-UHFFFAOYSA-N
XLogP2.61
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 154748801
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-fluorobenzamide
CID 111451432
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-[2-hydroxy-2-(6-oxo-1H-pyridin-2-yl)ethyl]-4-imidazol-1-ylbenzamide
CID 164690314
N-[(4-hydroxyoxan-4-yl)methyl]-3-imidazol-1-ylbenzamide
CID 111486071
N-(2-hydroxy-3-phenylpropyl)-4-imidazol-1-ylbenzamide
CID 111102738
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-3-imidazol-1-ylbenzamide
CID 126769462
N-(3-imidazol-1-ylpropyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 77097246
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-4-methylsulfanylbenzamide
CID 111451310

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide (CID 111451547) is N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide is O=C(NCC(O)c1c(F)cccc1F)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide?
The InChIKey is CYPZTUSIOCGLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c19-14-5-2-6-15(20)17(14)16(24)10-22-18(25)12-3-1-4-13(9-12)23-8-7-21-11-23/h1-9,11,16,24H,10H2,(H,22,25).
What are the key properties of N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide?
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide has a molecular weight of 343.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide is sourced from PubChem (CID 111451547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).